CID 17980574

6-fluoro-2,3-dihydroxybenzoic acid

Structural Information

Molecular Formula
C7H5FO4
SMILES
C1=CC(=C(C(=C1O)O)C(=O)O)F
InChI
InChI=1S/C7H5FO4/c8-3-1-2-4(9)6(10)5(3)7(11)12/h1-2,9-10H,(H,11,12)
InChIKey
LDVNZXZKWHFOMJ-UHFFFAOYSA-N
Compound name
6-fluoro-2,3-dihydroxybenzoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

24
Patents

172.01718 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 173.02446 128.6
[M+Na]+ 195.00640 138.3
[M-H]- 171.00990 128.1
[M+NH4]+ 190.05100 147.3
[M+K]+ 210.98034 135.8
[M+H-H2O]+ 155.01444 123.3
[M+HCOO]- 217.01538 148.3
[M+CH3COO]- 231.03103 172.1
[M+Na-2H]- 192.99185 132.5
[M]+ 172.01663 126.7
[M]- 172.01773 126.7
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe